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Hello John-- > > I have a problem when reading in DIPO restraints: the program doesn't > seem to correctly read in the value and error after the assign > statement, so that after the first restraint, it crashes. I'm using the > classical XPLOR interface (i.e. not the python interface). the problem is here: > > My table file has the following format: > > assign (segid " " and resid 500 and name OO ) > (segid " " and resid 500 and name Z ) > (segid " " and resid 500 and name X ) > (segid " " and resid 500 and name Y ) > (segid " " and resid 13 and name C ) > (segid " " and resid 13 and name HN ) > 16.384 1.00 The DIPO (also called XDIPO) XPLOR potential takes a third numeric argument. There are examples in eginput/dna_refi. e.g. dipolar_ribose_nico.tbl. The online help and manual entries for this statement are incorect and will be fixed. best regards-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.6 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8+ <http://mailcrypt.sourceforge.net/> iD8DBQFHSzbxPK2zrJwS/lYRAuMnAJ9xpgTzrV012qGIIjcC0beAzGegRACfVZeo XvkmAf+jHL6zC57KqWQ96Xg= =pcwR -----END PGP SIGNATURE-----
